Skip to content
Navigation Menu
Sign in
Appearance settings
Platform
AI CODE CREATION
GitHub Copilot
Write better code with AI
GitHub Copilot app
Direct agents from issue to merge
MCP Registry
Integrate external tools
DEVELOPER WORKFLOWS
Actions
Automate any workflow
Codespaces
Instant dev environments
Issues
Plan and track work
Code Review
Manage code changes
Code Quality
Enforce quality at merge
APPLICATION SECURITY
GitHub Advanced Security
Find and fix vulnerabilities
Code security
Secure your code as you build
Secret protection
Stop leaks before they start
EXPLORE
Why GitHub
Documentation
Blog
Changelog
Marketplace
View all features
Solutions
BY COMPANY SIZE
Enterprises
Small and medium teams
Startups
Nonprofits
BY USE CASE
App Modernization
DevSecOps
DevOps
CI/CD
View all use cases
BY INDUSTRY
Healthcare
Financial services
Manufacturing
Government
View all industries
View all solutions
Resources
EXPLORE BY TOPIC
AI
Software Development
DevOps
Security
View all topics
EXPLORE BY TYPE
Customer stories
Events & webinars
Ebooks & reports
Business insights
GitHub Skills
SUPPORT & SERVICES
Documentation
Customer support
Community forum
Trust center
Partners
View all resources
Open Source
COMMUNITY
GitHub Sponsors
Fund open source developers
PROGRAMS
Security Lab
Maintainer Community
GitHub Stars
Archive Program
REPOSITORIES
Topics
Trending
Collections
Enterprise
ENTERPRISE SOLUTIONS
Enterprise platform
AI-powered developer platform
AVAILABLE ADD-ONS
GitHub Advanced Security
Enterprise-grade security features
Copilot for Business
Enterprise-grade AI features
Premium Support
Enterprise-grade 24/7 support
Pricing
Search
/
Sign in
Sign up
Appearance settings
You signed in with another tab or window.
Reload
to refresh your session.
You signed out in another tab or window.
Reload
to refresh your session.
You switched accounts on another tab or window.
Reload
to refresh your session.
Dismiss alert
{{ message }}
NonDFT
/
NEST
Public
Notifications
You must be signed in to change notification settings
Fork
5
Star
15
Code
Issues
0
Pull requests
1
Discussions
Actions
Projects
Security and quality
0
Insights
Additional navigation options
Code
Issues
Pull requests
Discussions
Actions
Projects
Security and quality
Insights
Actions: NonDFT/NEST
Actions
All workflows
Workflows
CI
CI
Copilot
Copilot
Show more workflows...
Management
Caches
All workflows
All workflows
Actions
Loading...
Loading
Sorry, something went wrong.
Uh oh!
There was an error while loading.
Please reload this page
.
will be ignored since log searching is not yet available
Showing runs from all workflows
will be ignored since log searching is not yet available
59 workflow runs
59 workflow runs
Workflow
Filter by Workflow
Sorry, something went wrong.
Filter
Loading
Sorry, something went wrong.
No matching workflows.
Event
Filter by Event
Sorry, something went wrong.
Filter
Loading
Sorry, something went wrong.
No matching events.
Status
Filter by Status
Sorry, something went wrong.
Filter
Loading
Sorry, something went wrong.
No matching statuses.
Branch
Filter by Branch
Sorry, something went wrong.
Filter
Loading
Sorry, something went wrong.
No matching branches.
Actor
Filter by Actor
Sorry, something went wrong.
Filter
Loading
Sorry, something went wrong.
No matching users.
feat(nttda): add analytic gradients for ROKS and AOCSCF
CI
#53:
Pull request
#18
synchronize by
wtpeter
11m 12s
wtpeter:jingjjkk/feature/dz0scf-gradient-clean
wtpeter:jingjjkk/feature/dz0scf-gradient-clean
11m 12s
View #18
View workflow file
feat(nttda): add analytic gradients for ROKS and AOCSCF
CI
#52:
Pull request
#18
opened by
wtpeter
11m 38s
wtpeter:jingjjkk/feature/dz0scf-gradient-clean
wtpeter:jingjjkk/feature/dz0scf-gradient-clean
11m 38s
View #18
View workflow file
refactor(aocscf): replace Dz0SCF with average-occupation ROKS (#17)
CI
#51:
Commit
d048cdb
pushed by
wtpeter
6m 9s
main
main
6m 9s
View workflow file
refactor(aocscf): replace Dz0SCF with average-occupation ROKS
CI
#50:
Pull request
#17
synchronize by
wtpeter
7m 55s
wtpeter:refactor/dz0scf
wtpeter:refactor/dz0scf
7m 55s
View #17
View workflow file
refactor(aocscf): replace Dz0SCF with average-occupation ROKS
CI
#49:
Pull request
#17
opened by
wtpeter
7m 31s
wtpeter:refactor/dz0scf
wtpeter:refactor/dz0scf
7m 31s
View #17
View workflow file
Improve NTTDA projection and add explicit TDA matrices (#14)
CI
#48:
Commit
0e7d707
pushed by
wtpeter
7m 47s
main
main
7m 47s
View workflow file
Update DeltaSCF Hessian and simplify FR tests (#13)
CI
#47:
Commit
f6d933b
pushed by
wtpeter
5m 9s
main
main
5m 9s
View workflow file
Revert "Feature/dz0scf gradient clean (#10)" (#15)
CI
#46:
Commit
e8aef36
pushed by
wtpeter
5m 9s
main
main
5m 9s
View workflow file
Revert "Feature/dz0scf gradient clean"
CI
#45:
Pull request
#15
opened by
wtpeter
4m 55s
revert-10-feature/dz0scf-gradient-clean
revert-10-feature/dz0scf-gradient-clean
4m 55s
View #15
View workflow file
Revert "Feature/dz0scf gradient clean (#10)"
CI
#44:
Commit
9572ef4
pushed by
wtpeter
5m 6s
revert-10-feature/dz0scf-gradient-clean
revert-10-feature/dz0scf-gradient-clean
5m 6s
View #15
View workflow file
Update DeltaSCF Hessian and simplify FR tests
CI
#43:
Pull request
#13
synchronize by
wtpeter
11m 43s
wtpeter:deltascf-hessian-fr-cleanup
wtpeter:deltascf-hessian-fr-cleanup
11m 43s
View #13
View workflow file
Feature/dz0scf gradient clean (#10)
CI
#42:
Commit
43738e8
pushed by
wtpeter
11m 55s
main
main
11m 55s
View workflow file
Improve NTTDA projection and add explicit TDA matrices
CI
#41:
Pull request
#14
opened by
wtpeter
6m 19s
wtpeter:refactor/nttda-projection
wtpeter:refactor/nttda-projection
6m 19s
View #14
View workflow file
Running Copilot Code Review
Copilot
#6:
by
Copilot
AI
4m 55s
main
main
4m 55s
Running Copilot Code Review
Copilot
#5:
by
Copilot
AI
9m 12s
main
main
9m 12s
Update DeltaSCF Hessian and simplify FR tests
CI
#40:
Pull request
#13
opened by
wtpeter
5m 11s
wtpeter:deltascf-hessian-fr-cleanup
wtpeter:deltascf-hessian-fr-cleanup
5m 11s
View #13
View workflow file
Add SF dispersion gradients and improve geometry scanners (#12)
CI
#39:
Commit
ad7f47a
pushed by
wtpeter
5m 1s
main
main
5m 1s
View workflow file
Running Copilot Code Review
Copilot
#4:
by
Copilot
AI
6m 21s
main
main
6m 21s
Add SF dispersion gradients and improve geometry scanners
CI
#38:
Pull request
#12
opened by
wtpeter
4m 12s
wtpeter:feat/dftd
wtpeter:feat/dftd
4m 12s
View #12
View workflow file
Feature/dz0scf gradient clean
CI
#37:
Pull request
#10
synchronize by
jingjjkkyj
9m 25s
jingjjkkyj:feature/dz0scf-gradient-clean
jingjjkkyj:feature/dz0scf-gradient-clean
9m 25s
View #10
View workflow file
Feature/dz0scf gradient clean
CI
#36:
Pull request
#10
synchronize by
jingjjkkyj
11m 43s
jingjjkkyj:feature/dz0scf-gradient-clean
jingjjkkyj:feature/dz0scf-gradient-clean
11m 43s
View #10
View workflow file
feat: add deltaSCF methods (#11)
CI
#35:
Commit
35f79f5
pushed by
wtpeter
3m 53s
main
main
3m 53s
View workflow file
feat: add deltaSCF methods
CI
#34:
Pull request
#11
opened by
wtpeter
3m 53s
wtpeter:feat/sgm-roks
wtpeter:feat/sgm-roks
3m 53s
View #11
View workflow file
Feature/dz0scf gradient clean
CI
#33:
Pull request
#10
opened by
jingjjkkyj
25s
jingjjkkyj:feature/dz0scf-gradient-clean
jingjjkkyj:feature/dz0scf-gradient-clean
25s
View #10
View workflow file
Feat/nttda oscillator strength (#9)
CI
#32:
Commit
4c3a1a1
pushed by
wtpeter
4m 47s
main
main
4m 47s
View workflow file
Previous
1
2
3
Next
You can’t perform that action at this time.